3-oxo-2-phenyl-N-(1,1,3,3-tetramethylbutyl)-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazole-1-carboxamide | 1255929-18-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: 3-oxo-2-phenyl-N-(1,1,3,3-tetramethylbutyl)-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazole-1-carboxamide
• CAS: 1255929-18-0
• 化学式: C₂₅H₃₀N₄O₂
• 分子量: 418.539
• InChiKey: CCFZKFLOJKNSKG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.46
• 重原子数：
  31.0
• 可旋转键数：
  4.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  67.23
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  2-(2-formyl-1H-benzoimidazol-1-yl)acetic acid 、 1,1,3,3-四甲基丁基异腈 、 苯胺 以 甲醇 为溶剂， 反应 6.0h， 以76%的产率得到3-oxo-2-phenyl-N-(1,1,3,3-tetramethylbutyl)-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazole-1-carboxamide
  参考文献：
  名称：

  Unique substituted 3-oxo-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazole-1-carboxamides generated by Ugi 3CC using bifunctional starting material

  摘要：

  2-(2-Formyl-1H-benzimidazol-1-yl)acetic acid, as a bifunctional formyl-acid was prepared in four steps. This compound underwent one-pot reaction with primary amines, and alkyl isocyanides under Ugi conditions. A series of novel 3-oxo-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazole-1-carboxamides were obtained in moderate to excellent yields. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2010.08.057

文献信息

• Unique substituted 3-oxo-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazole-1-carboxamides generated by Ugi 3CC using bifunctional starting material
  作者：Mehdi Ghandi、Nahid Zarezadeh、Abuzar Taheri

  DOI：10.1016/j.tet.2010.08.057

  日期：2010.10

  2-(2-Formyl-1H-benzimidazol-1-yl)acetic acid, as a bifunctional formyl-acid was prepared in four steps. This compound underwent one-pot reaction with primary amines, and alkyl isocyanides under Ugi conditions. A series of novel 3-oxo-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazole-1-carboxamides were obtained in moderate to excellent yields. (C) 2010 Elsevier Ltd. All rights reserved.